2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C17H12F2N6O — CID 162760250

IUPAC2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESFc1cnc(-c2nn3c(c2-c2ccnc4[nH]ncc24)OCCC3)c(F)c1
InChIInChI=1S/C17H12F2N6O/c18-9-6-12(19)14(21-7-9)15-13(17-25(24-15)4-1-5-26-17)10-2-3-20-16-11(10)8-22-23-16/h2-3,6-8H,1,4-5H2,(H,20,22,23)
InChIKeySOSRLRYUYYNXPO-UHFFFAOYSA-N
MW354.32 g/mol
LogP2.94
Rot. Bonds2

About 2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 162760250) has the molecular formula C17H12F2N6O and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID162760250
Molecular FormulaC17H12F2N6O
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC Name2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESFc1cnc(-c2nn3c(c2-c2ccnc4[nH]ncc24)OCCC3)c(F)c1
InChIInChI=1S/C17H12F2N6O/c18-9-6-12(19)14(21-7-9)15-13(17-25(24-15)4-1-5-26-17)10-2-3-20-16-11(10)8-22-23-16/h2-3,6-8H,1,4-5H2,(H,20,22,23)
InChIKeySOSRLRYUYYNXPO-UHFFFAOYSA-N
XLogP2.94
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 162760250) is 2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is Fc1cnc(-c2nn3c(c2-c2ccnc4[nH]ncc24)OCCC3)c(F)c1.
What is the InChIKey of 2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is SOSRLRYUYYNXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N6O/c18-9-6-12(19)14(21-7-9)15-13(17-25(24-15)4-1-5-26-17)10-2-3-20-16-11(10)8-22-23-16/h2-3,6-8H,1,4-5H2,(H,20,22,23).
What are the key properties of 2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 354.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 162760250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).